EcoDrugPlus


Keyword(s):	Drinking Water Chemicals
Molecule Category	Free-form
UNII	N12XQW4I3Y
EPA CompTox	DTXSID4029729

Keyword(s):

Drinking Water Chemicals

Molecule Category

Free-form

UNII

N12XQW4I3Y

EPA CompTox

DTXSID4029729


InChI Key	OPAGYJJCQOCJBW-UHFFFAOYSA-M
Smiles	[Co+2].CCCCCCCCCCCCCCCCCC(=O)[O-]
InChI	InChI=1/C18H36O2.Co/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2-17H2,1H3,(H,19,20);/q;+2/p-1

InChI Key

OPAGYJJCQOCJBW-UHFFFAOYSA-M

Smiles

[Co+2].CCCCCCCCCCCCCCCCCC(=O)[O-]

InChI

InChI=1/C18H36O2.Co/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2-17H2,1H3,(H,19,20);/q;+2/p-1

Property Name	Value
Molecular Formula	C18H35CoO2
Molecular Weight	342.2
AlogP	5.0
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	16.0
Polar Surface Area	40.13
Heavy Atoms	21.0

Property Name

Value

Molecular Formula

C18H35CoO2

Molecular Weight

342.2

AlogP

5.0

Hydrogen Bond Acceptor

2.0

Number of Rotational Bond

16.0

Polar Surface Area

40.13

Heavy Atoms

21.0

Resources	Reference
CAS NUMBER	13586-84-0
NORMAN SUSDAT
FDA SRS	N12XQW4I3Y

Resources

Reference

CAS NUMBER

13586-84-0

NORMAN SUSDAT

FDA SRS

N12XQW4I3Y

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

STEARIC ACID, COBALT SALT

Structure

Physicochemical Descriptors

Cross References